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Group for Computational Life Sciences

The research interests of the Group for Computational Life Sciences include: (1) The influence of molecular flexibility on (a) the properties and spectroscopy of peptides, (b) the structure and function of proteins, and (c) enzymatic catalysis; (2) The development of the theoretical basis for calculating photoionization spectra of molecules in excited states, with application to biomolecular chromophores; (3) The study of the interaction of functional molecules (hormones, ligands) with biological surfaces (membranes, epithelial tissues, biocompatible crystals); (4) New approaches to studying electron transfer in aqueous solutions; (5) The computational design of new materials.

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